SCHEMBL2036075

SCHEMBL2036075

CCCCCCCCCCCCC/C(N)=C\N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.52
SPHK1 Q9NYA1 1/20 0.52
FAAH O00519 3/20 0.48
SOAT1 P35610 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
GPR84 Q9NQS5 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4009824 1.00 SPHK2 (0.52) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL2043481 1.00 SPHK2 (0.52) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL25605558 1.00 SPHK2 (0.52) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL12849962 1.00 SPHK2 (0.52) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL4002991 1.00 SPHK2 (0.52) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL4015999 1.00 SPHK2 (0.52) SPHK2SPHK1FAAHSOAT1MEN1
SCHEMBL16392952 0.90
SCHEMBL4986861 0.90
SCHEMBL4986864 0.90
SCHEMBL2037878 0.89 FAAH (0.66) FAAHSOAT1MEN1KMT2ATP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070141-A2 LUBRICATING OIL COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2011-06-16 WO disclosed